2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid

C13H9BrClNO4 — CID 107063613

IUPAC2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
SMILESCOc1ccc(Oc2nccc(C(=O)O)c2Cl)c(Br)c1
InChIInChI=1S/C13H9BrClNO4/c1-19-7-2-3-10(9(14)6-7)20-12-11(15)8(13(17)18)4-5-16-12/h2-6H,1H3,(H,17,18)
InChIKeyHJMSJWMXMPIURR-UHFFFAOYSA-N
MW358.58 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid

2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid (PubChem CID 107063613) has the molecular formula C13H9BrClNO4 and a molecular weight of 358.58 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
PubChem CID107063613
Molecular FormulaC13H9BrClNO4
Molecular Weight358.58 g/mol
Exact Mass356.94
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
SMILESCOc1ccc(Oc2nccc(C(=O)O)c2Cl)c(Br)c1
InChIInChI=1S/C13H9BrClNO4/c1-19-7-2-3-10(9(14)6-7)20-12-11(15)8(13(17)18)4-5-16-12/h2-6H,1H3,(H,17,18)
InChIKeyHJMSJWMXMPIURR-UHFFFAOYSA-N
XLogP4.00
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
CID 114838080
4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104707938
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063252

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid (CID 107063613) is 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid is COc1ccc(Oc2nccc(C(=O)O)c2Cl)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid?
The InChIKey is HJMSJWMXMPIURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO4/c1-19-7-2-3-10(9(14)6-7)20-12-11(15)8(13(17)18)4-5-16-12/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid?
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid has a molecular weight of 358.58 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 107063613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).